2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile

C14H19N3 — CID 55167783

IUPAC2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
SMILESCNCC1CCCCN1c1ccccc1C#N
InChIInChI=1S/C14H19N3/c1-16-11-13-7-4-5-9-17(13)14-8-3-2-6-12(14)10-15/h2-3,6,8,13,16H,4-5,7,9,11H2,1H3
InChIKeyLYTVRZCTUQFHHD-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.14
Rot. Bonds3

About 2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile

2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile (PubChem CID 55167783) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
PubChem CID55167783
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
SMILESCNCC1CCCCN1c1ccccc1C#N
InChIInChI=1S/C14H19N3/c1-16-11-13-7-4-5-9-17(13)14-8-3-2-6-12(14)10-15/h2-3,6,8,13,16H,4-5,7,9,11H2,1H3
InChIKeyLYTVRZCTUQFHHD-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile?
The IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile (CID 55167783) is 2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile is CNCC1CCCCN1c1ccccc1C#N.
What is the InChIKey of 2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile?
The InChIKey is LYTVRZCTUQFHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-16-11-13-7-4-5-9-17(13)14-8-3-2-6-12(14)10-15/h2-3,6,8,13,16H,4-5,7,9,11H2,1H3.
What are the key properties of 2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile?
2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 55167783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).